Information card for entry 7710138

Structure parameters

• Formula: C24 H56 Bi Cu I8 N4
• Calculated formula: C24 H56 Bi Cu I8 N4
• Title of publication: Dehydration-activated structural phase transition in a two-dimensional hybrid double perovskite
• Authors of publication: Ren , Rui-Ying; Su, Chang-Yuan; Shao , Ting; Zhang, Zhixu; Huang, Pei-Zhi; Zhang, Yi; Jia, Qiang-Qiang; Fu, Da-Wei
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.313 ± 0.003 Å
• b: 9.211 ± 0.004 Å
• c: 26.573 ± 0.01 Å
• α: 90°
• β: 91.149 ± 0.006°
• γ: 90°
• Cell volume: 2279 ± 1.5 ų
• Cell temperature: 400 ± 2 K
• Ambient diffraction temperature: 400 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.1152
• Weighted residual factors for significantly intense reflections: 0.3498
• Weighted residual factors for all reflections included in the refinement: 0.3673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No